N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine

C17H20ClNO — CID 106861648

IUPACN-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-3-19-11-14-6-4-5-7-17(14)20-12-15-9-8-13(2)10-16(15)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyRROHTUZBDZHMPZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.34
Rot. Bonds6

About N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine

N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 106861648) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID106861648
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-3-19-11-14-6-4-5-7-17(14)20-12-15-9-8-13(2)10-16(15)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyRROHTUZBDZHMPZ-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 43646629
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
1-[(2-chloro-4-methylphenyl)methoxy]naphthalene
CID 106870276
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450280
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720063
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine (CID 106861648) is N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCc1ccc(C)cc1Cl.
What is the InChIKey of N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is RROHTUZBDZHMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-19-11-14-6-4-5-7-17(14)20-12-15-9-8-13(2)10-16(15)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine?
N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 106861648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).